4-fluoro-2-methoxy-1-[(2-nitrophenyl)methyl]benzene

C14H12FNO3 — CID 122463913

IUPAC4-fluoro-2-methoxy-1-[(2-nitrophenyl)methyl]benzene
SMILESCOc1cc(F)ccc1Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12FNO3/c1-19-14-9-12(15)7-6-11(14)8-10-4-2-3-5-13(10)16(17)18/h2-7,9H,8H2,1H3
InChIKeyNEDFSSZRKBKMSK-UHFFFAOYSA-N
MW261.25 g/mol
LogP3.33
Rot. Bonds4

About 4-fluoro-2-methoxy-1-[(2-nitrophenyl)methyl]benzene

4-fluoro-2-methoxy-1-[(2-nitrophenyl)methyl]benzene (PubChem CID 122463913) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-1-[(2-nitrophenyl)methyl]benzene.

Molecular Properties

Compound Name4-fluoro-2-methoxy-1-[(2-nitrophenyl)methyl]benzene
PubChem CID122463913
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name4-fluoro-2-methoxy-1-[(2-nitrophenyl)methyl]benzene
SMILESCOc1cc(F)ccc1Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12FNO3/c1-19-14-9-12(15)7-6-11(14)8-10-4-2-3-5-13(10)16(17)18/h2-7,9H,8H2,1H3
InChIKeyNEDFSSZRKBKMSK-UHFFFAOYSA-N
XLogP3.33
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-[(2,5-dimethoxy-4-nitrophenyl)methyl]phenyl] carbamate
CID 151877722
4-fluoro-1-methoxy-2-(2-nitrophenyl)benzene
CID 22147723
1-(2-fluoro-6-methoxyphenyl)-2-(2-nitrophenyl)ethanone
CID 65433449
N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-nitrophenyl)methanamine
CID 115967957
(1S)-1-[4-fluoro-2-[(2-nitrophenyl)methoxy]phenyl]ethanol
CID 63366105
2-[[2-(chloromethyl)phenoxy]methyl]-4-fluoro-1-nitrobenzene
CID 43443680
1-[(2,5-difluorophenoxy)methyl]-2-fluoro-3-nitrobenzene
CID 107348727
4-fluoro-5-methoxy-2-nitro-N-[(2-nitrophenyl)methyl]aniline
CID 133374248
1-[(5-fluoro-2-methoxyphenyl)methyl]-4-[(2-methyl-3-nitrophenyl)methyl]piperazine
CID 112839729
2-(5-fluoro-2-nitrophenoxy)-1-(2-methoxyphenyl)ethanone
CID 8873297
2-[(2-nitrophenyl)methyl]phenol
CID 22062598
2-[2-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine
CID 60905408

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxy-1-[(2-nitrophenyl)methyl]benzene?
The IUPAC name of 4-fluoro-2-methoxy-1-[(2-nitrophenyl)methyl]benzene (CID 122463913) is 4-fluoro-2-methoxy-1-[(2-nitrophenyl)methyl]benzene.
What is the SMILES notation for 4-fluoro-2-methoxy-1-[(2-nitrophenyl)methyl]benzene?
The canonical SMILES for 4-fluoro-2-methoxy-1-[(2-nitrophenyl)methyl]benzene is COc1cc(F)ccc1Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 4-fluoro-2-methoxy-1-[(2-nitrophenyl)methyl]benzene?
The InChIKey is NEDFSSZRKBKMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-19-14-9-12(15)7-6-11(14)8-10-4-2-3-5-13(10)16(17)18/h2-7,9H,8H2,1H3.
What are the key properties of 4-fluoro-2-methoxy-1-[(2-nitrophenyl)methyl]benzene?
4-fluoro-2-methoxy-1-[(2-nitrophenyl)methyl]benzene has a molecular weight of 261.25 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxy-1-[(2-nitrophenyl)methyl]benzene is sourced from PubChem (CID 122463913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).